2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine

C7H16N6O2 — CID 70531198

IUPAC2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCOCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O2.C3H6N6/c1-2-6-4-3-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyNTMHEHPLTSEQSI-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.37
Rot. Bonds3

About 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine

2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 70531198) has the molecular formula C7H16N6O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID70531198
Molecular FormulaC7H16N6O2
Molecular Weight216.24 g/mol
Exact Mass216.13
IUPAC Name2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCCOCCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O2.C3H6N6/c1-2-6-4-3-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyNTMHEHPLTSEQSI-UHFFFAOYSA-N
XLogP-1.37
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine (CID 70531198) is 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine is CCOCCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is NTMHEHPLTSEQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6N6/c1-2-6-4-3-5;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine?
2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 216.24 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70531198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).